AMBER Archive (2004)

Subject: Re: AMBER: Problem to converge minimization

From: David A. Case (case_at_scripps.edu)
Date: Mon Jul 05 2004 - 10:22:01 CDT

On Mon, Jul 05, 2004, Guillaume Bollot wrote:

> I have a problem to converge a minimization with SANDER to AMBER7. After
> molecular dynamic, I want to minimize my antibody (3500 atoms) with the
> frame #275 from trajectory file with a treshold (0.5). I put my geometry
> from PTRAJ but the minimization done with the following message error:
> ...RESTARTED DUE TO LINMIN FAILURE.

Make sure you do not have SHAKE turned on, as well.

...dac

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